Reaction Routes of
H8C4O4
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/CC-PVTZ
© 2009 Koichi OHNO
Explored: EQ59 TS152
S4 ENERGY= 0.0 kJ/mol ( -458.2361914 Hartree)
Energy+ZPE= 0.0 kJ/mol ZPE= 0.1164931
CONNECTIONS:
o TS0 ( 19.1) o EQ0
o TS1 ( 34.2) o EQ0
o TS2 ( 23.1) o EQ2
o TS3 ( 23.2) o EQ2
o TS4 ( 21.7) o EQ4
o TS5 ( 23.5) o EQ6
o TS6 ( 23.1) o EQ7
o TS7 ( 24.8) o EQ11
o TS8 ( 24.9) o EQ11
o TS9 ( 27.2) o EQ13
o TS10 ( 28.5) o EQ13
o TS11 ( 33.8) o EQ13
o TS12 ( 28.9) o EQ15
o TS13 ( 31.4) o EQ16
o TS14 ( 26.6) o EQ17
o TS15 ( 27.6) o EQ17
o TS16 ( 25.8) o EQ19
o TS17 ( 27.5) o EQ23
o TS18 ( 28.4) o EQ23
o TS19 ( 27.9) o EQ29
o TS20 ( 28.1) o EQ31
o TS21 ( 33.8) o EQ32
o TS22 ( 27.9) o EQ35
o TS23 ( 30.4) o EQ37
o TS24 ( 29.8) o EQ38
o TS25 ( 32.8) o EQ43
o TS26 ( 33.5) o EQ43
o TS27 ( 33.7) o EQ43
o TS28 ( 35.0) o EQ46
o TS29 ( 35.0) o xx
C1 ENERGY= 12.8 kJ/mol ( -458.2313295 Hartree)
Energy+ZPE= 6.8 kJ/mol ZPE= 0.1141941
CONNECTIONS:
o TS30 ( 20.3) o EQ1
o TS31 ( 21.0) o EQ1
o TS32 ( 21.3) o EQ1
o TS33 ( 29.4) o EQ1
o TS34 ( 18.6) o EQ3
o TS35 ( 20.1) o EQ3
o TS36 ( 20.2) o EQ3
o TS37 ( 20.8) o EQ3
o TS38 ( 28.2) o EQ3
o TS39 ( 22.2) o EQ5
o TS40 ( 26.5) o EQ10
o TS41 ( 27.1) o EQ13
o TS42 ( 28.6) o EQ13
o TS43 ( 25.8) o EQ16
o TS44 ( 25.9) o EQ18
o TS45 ( 35.0) o EQ20
o TS46 ( 25.8) o EQ22
o TS47 ( 26.0) o EQ22
o TS48 ( 26.7) o EQ26
o TS49 ( 27.6) o EQ28
o TS50 ( 30.8) o EQ33
o TS51 ( 28.6) o EQ35
o TS52 ( 34.2) o EQ36
o TS53 ( 30.7) o EQ37
o TS54 ( 36.2) o EQ41
o TS55 ( 36.9) o EQ53
Ci ENERGY= 16.0 kJ/mol ( -458.2300901 Hartree)
Energy+ZPE= 12.0 kJ/mol ZPE= 0.1149612
CONNECTIONS:
o TS2 ( 23.1) o EQ0
o TS3 ( 23.2) o EQ0
o TS56 ( 30.5) o EQ4
o TS57 ( 22.8) o EQ6
o TS58 ( 22.4) o EQ7
o TS59 ( 25.6) o EQ12
o TS60 ( 25.8) o EQ12
o TS61 ( 26.6) o EQ23
C1 ENERGY= 18.4 kJ/mol ( -458.2291924 Hartree)
Energy+ZPE= 9.2 kJ/mol ZPE= 0.1129704
CONNECTIONS:
o TS34 ( 18.6) o EQ1
o TS35 ( 20.1) o EQ1
o TS36 ( 20.2) o EQ1
o TS37 ( 20.8) o EQ1
o TS38 ( 28.2) o EQ1
o TS62 ( 22.9) o EQ5
o TS63 ( 24.1) o EQ6
o TS64 ( 22.7) o EQ8
o TS65 ( 23.9) o EQ8
o TS66 ( 26.6) o EQ12
o TS67 ( 32.4) o EQ16
o TS68 ( 26.3) o EQ20
o TS69 ( 26.4) o EQ25
o TS148 ( 29.6) o xx
C1 ENERGY= 21.6 kJ/mol ( -458.2279683 Hartree)
Energy+ZPE= 14.0 kJ/mol ZPE= 0.1136122
CONNECTIONS:
o TS4 ( 21.7) o EQ0
o TS56 ( 30.5) o EQ2
o TS70 ( 24.7) o EQ5
o TS71 ( 23.1) o EQ6
o TS72 ( 24.0) o EQ6
o TS73 ( 25.5) o EQ9
o TS74 ( 27.1) o EQ23
o TS75 ( 27.4) o EQ24
o TS76 ( 29.2) o EQ32
o TS77 ( 36.5) o EQ54
C1 ENERGY= 22.1 kJ/mol ( -458.2277628 Hartree)
Energy+ZPE= 13.3 kJ/mol ZPE= 0.1131511
CONNECTIONS:
o TS39 ( 22.2) o EQ1
o TS62 ( 22.9) o EQ3
o TS70 ( 24.7) o EQ4
o TS78 ( 26.4) o EQ24
C1 ENERGY= 22.2 kJ/mol ( -458.2277457 Hartree)
Energy+ZPE= 14.0 kJ/mol ZPE= 0.1133727
CONNECTIONS:
o TS5 ( 23.5) o EQ0
o TS57 ( 22.8) o EQ2
o TS63 ( 24.1) o EQ3
o TS71 ( 23.1) o EQ4
o TS72 ( 24.0) o EQ4
o TS79 ( 24.8) o EQ8
C1 ENERGY= 22.3 kJ/mol ( -458.2276921 Hartree)
Energy+ZPE= 14.3 kJ/mol ZPE= 0.1134466
CONNECTIONS:
o TS6 ( 23.1) o EQ0
o TS58 ( 22.4) o EQ2
o TS80 ( 27.7) o EQ12
o TS81 ( 36.7) o EQ54
C1 ENERGY= 22.5 kJ/mol ( -458.2276150 Hartree)
Energy+ZPE= 10.0 kJ/mol ZPE= 0.1117286
CONNECTIONS:
o TS64 ( 22.7) o EQ3
o TS65 ( 23.9) o EQ3
o TS79 ( 24.8) o EQ6
Cs ENERGY= 23.5 kJ/mol ( -458.2272322 Hartree)
Energy+ZPE= 16.2 kJ/mol ZPE= 0.1136942
CONNECTIONS:
o TS73 ( 25.5) o EQ4
o TS82 ( 38.8) o EQ9
o TS83 ( 28.6) o EQ15
o TS84 ( 25.9) o EQ22
o TS85 ( 37.2) o EQ36
o TS86 ( 35.8) o EQ51
C1 ENERGY= 24.4 kJ/mol ( -458.2268862 Hartree)
Energy+ZPE= 16.6 kJ/mol ZPE= 0.1135236
CONNECTIONS:
o TS40 ( 26.5) o EQ1
o TS87 ( 29.4) o EQ10
o TS88 ( 34.6) o EQ10
o TS89 ( 26.7) o EQ17
o TS90 ( 28.1) o EQ28
o TS91 ( 33.1) o EQ39
o TS92 ( 36.2) o EQ53
o TS93 ( 36.7) o EQ53
[ EQ11 ] C1 ENERGY= 24.7 kJ/mol ( -458.2267689 Hartree)
Energy+ZPE= 16.2 kJ/mol ZPE= 0.1132725
CONNECTIONS:
o TS7 ( 24.8) o EQ0
o TS8 ( 24.9) o EQ0
o TS94 ( 25.0) o EQ11
[ EQ12 ] C1 ENERGY= 25.0 kJ/mol ( -458.2266658 Hartree)
Energy+ZPE= 17.5 kJ/mol ZPE= 0.1136424
CONNECTIONS:
o TS59 ( 25.6) o EQ2
o TS60 ( 25.8) o EQ2
o TS66 ( 26.6) o EQ3
o TS80 ( 27.7) o EQ7
[ EQ13 ] C1 ENERGY= 25.2 kJ/mol ( -458.2265948 Hartree)
Energy+ZPE= 17.3 kJ/mol ZPE= 0.1134798
CONNECTIONS:
o TS9 ( 27.2) o EQ0
o TS10 ( 28.5) o EQ0
o TS11 ( 33.8) o EQ0
o TS41 ( 27.1) o EQ1
o TS42 ( 28.6) o EQ1
o TS95 ( 26.8) o EQ15
o TS96 ( 27.8) o EQ27
o TS97 ( 33.9) o EQ44
[ EQ14 ] C1 ENERGY= 25.3 kJ/mol ( -458.2265653 Hartree)
Energy+ZPE= 17.5 kJ/mol ZPE= 0.1135056
CONNECTIONS:
o TS98 ( 25.8) o EQ22
o TS99 ( 27.5) o EQ27
o TS100 ( 28.7) o EQ36
[ EQ15 ] C1 ENERGY= 25.5 kJ/mol ( -458.2264888 Hartree)
Energy+ZPE= 17.1 kJ/mol ZPE= 0.1133065
CONNECTIONS:
o TS12 ( 28.9) o EQ0
o TS83 ( 28.6) o EQ9
o TS95 ( 26.8) o EQ13
[ EQ16 ] C1 ENERGY= 25.5 kJ/mol ( -458.2264690 Hartree)
Energy+ZPE= 15.4 kJ/mol ZPE= 0.1126288
CONNECTIONS:
o TS13 ( 31.4) o EQ0
o TS43 ( 25.8) o EQ1
o TS67 ( 32.4) o EQ3
o TS101 ( 31.7) o EQ16
o TS102 ( 26.8) o EQ18
o TS103 ( 27.4) o EQ24
o TS104 ( 30.8) o EQ40
o TS105 ( 36.7) o EQ55
[ EQ17 ] C1 ENERGY= 25.6 kJ/mol ( -458.2264597 Hartree)
Energy+ZPE= 17.6 kJ/mol ZPE= 0.1134392
CONNECTIONS:
o TS14 ( 26.6) o EQ0
o TS15 ( 27.6) o EQ0
o TS89 ( 26.7) o EQ10
o TS106 ( 27.9) o EQ21
o TS107 ( 29.1) o EQ35
[ EQ18 ] C1 ENERGY= 25.6 kJ/mol ( -458.2264569 Hartree)
Energy+ZPE= 15.2 kJ/mol ZPE= 0.1125376
CONNECTIONS:
o TS44 ( 25.9) o EQ1
o TS102 ( 26.8) o EQ16
o TS108 ( 31.8) o EQ18
o TS109 ( 27.5) o EQ25
o TS110 ( 35.7) o EQ51
[ EQ19 ] C1 ENERGY= 25.7 kJ/mol ( -458.2264179 Hartree)
Energy+ZPE= 16.0 kJ/mol ZPE= 0.1127869
CONNECTIONS:
o TS16 ( 25.8) o EQ0
o TS111 ( 28.4) o EQ34
[ EQ20 ] C1 ENERGY= 25.7 kJ/mol ( -458.2264056 Hartree)
Energy+ZPE= 15.8 kJ/mol ZPE= 0.1127050
CONNECTIONS:
o TS45 ( 35.0) o EQ1
o TS68 ( 26.3) o EQ3
[ EQ21 ] C1 ENERGY= 25.7 kJ/mol ( -458.2263935 Hartree)
Energy+ZPE= 17.3 kJ/mol ZPE= 0.1132843
CONNECTIONS:
o TS106 ( 27.9) o EQ17
o TS112 ( 30.8) o EQ21
o TS113 ( 27.5) o EQ26
o TS114 ( 27.8) o EQ31
o TS115 ( 34.3) o EQ39
o TS116 ( 35.6) o EQ51
[ EQ22 ] C1 ENERGY= 25.8 kJ/mol ( -458.2263802 Hartree)
Energy+ZPE= 17.8 kJ/mol ZPE= 0.1134290
CONNECTIONS:
o TS46 ( 25.8) o EQ1
o TS47 ( 26.0) o EQ1
o TS84 ( 25.9) o EQ9
o TS98 ( 25.8) o EQ14
[ EQ23 ] C1 ENERGY= 26.0 kJ/mol ( -458.2262796 Hartree)
Energy+ZPE= 16.8 kJ/mol ZPE= 0.1129886
CONNECTIONS:
o TS17 ( 27.5) o EQ0
o TS18 ( 28.4) o EQ0
o TS61 ( 26.6) o EQ2
o TS74 ( 27.1) o EQ4
o TS117 ( 28.5) o EQ29
o TS118 ( 28.8) o EQ29
[ EQ24 ] C1 ENERGY= 26.1 kJ/mol ( -458.2262594 Hartree)
Energy+ZPE= 16.3 kJ/mol ZPE= 0.1127771
CONNECTIONS:
o TS75 ( 27.4) o EQ4
o TS78 ( 26.4) o EQ5
o TS103 ( 27.4) o EQ16
o TS119 ( 27.1) o EQ25
o TS120 ( 27.5) o EQ25
[ EQ25 ] C1 ENERGY= 26.1 kJ/mol ( -458.2262515 Hartree)
Energy+ZPE= 16.2 kJ/mol ZPE= 0.1127333
CONNECTIONS:
o TS69 ( 26.4) o EQ3
o TS109 ( 27.5) o EQ18
o TS119 ( 27.1) o EQ24
o TS120 ( 27.5) o EQ24
o TS149 ( 34.2) o xx
[ EQ26 ] C1 ENERGY= 26.3 kJ/mol ( -458.2261688 Hartree)
Energy+ZPE= 18.3 kJ/mol ZPE= 0.1134545
CONNECTIONS:
o TS48 ( 26.7) o EQ1
o TS113 ( 27.5) o EQ21
o TS121 ( 30.1) o EQ37
[ EQ27 ] C1 ENERGY= 26.5 kJ/mol ( -458.2261070 Hartree)
Energy+ZPE= 18.4 kJ/mol ZPE= 0.1134006
CONNECTIONS:
o TS96 ( 27.8) o EQ13
o TS99 ( 27.5) o EQ14
o TS122 ( 29.7) o EQ37
[ EQ28 ] C1 ENERGY= 27.0 kJ/mol ( -458.2259009 Hartree)
Energy+ZPE= 17.8 kJ/mol ZPE= 0.1130025
CONNECTIONS:
o TS49 ( 27.6) o EQ1
o TS90 ( 28.1) o EQ10
o TS123 ( 35.9) o EQ28
o TS124 ( 36.4) o EQ44
o TS125 ( 37.2) o EQ52
[ EQ29 ] C1 ENERGY= 27.1 kJ/mol ( -458.2258773 Hartree)
Energy+ZPE= 16.9 kJ/mol ZPE= 0.1126206
CONNECTIONS:
o TS19 ( 27.9) o EQ0
o TS117 ( 28.5) o EQ23
o TS118 ( 28.8) o EQ23
o TS126 ( 28.0) o EQ29
o TS127 ( 27.6) o EQ33
o TS128 ( 33.6) o EQ45
o TS129 ( 33.9) o EQ46
o TS130 ( 34.0) o EQ47
[ EQ30 ] C1 ENERGY= 27.2 kJ/mol ( -458.2258206 Hartree)
Energy+ZPE= 18.0 kJ/mol ZPE= 0.1129869
CONNECTIONS:
[ EQ31 ] C1 ENERGY= 27.3 kJ/mol ( -458.2258068 Hartree)
Energy+ZPE= 18.0 kJ/mol ZPE= 0.1129413
CONNECTIONS:
o TS20 ( 28.1) o EQ0
o TS114 ( 27.8) o EQ21
o TS131 ( 28.4) o EQ36
[ EQ32 ] C1 ENERGY= 27.3 kJ/mol ( -458.2257954 Hartree)
Energy+ZPE= 17.8 kJ/mol ZPE= 0.1128655
CONNECTIONS:
o TS21 ( 33.8) o EQ0
o TS76 ( 29.2) o EQ4
o TS132 ( 30.2) o EQ38
[ EQ33 ] C1 ENERGY= 27.4 kJ/mol ( -458.2257655 Hartree)
Energy+ZPE= 17.9 kJ/mol ZPE= 0.1128699
CONNECTIONS:
o TS50 ( 30.8) o EQ1
o TS127 ( 27.6) o EQ29
o TS133 ( 33.5) o EQ42
o TS134 ( 33.8) o EQ43
o TS135 ( 36.7) o EQ45
o TS136 ( 33.5) o EQ47
o TS137 ( 36.6) o EQ52
[ EQ34 ] C1 ENERGY= 27.7 kJ/mol ( -458.2256550 Hartree)
Energy+ZPE= 17.4 kJ/mol ZPE= 0.1125812
CONNECTIONS:
o TS111 ( 28.4) o EQ19
[ EQ35 ] C1 ENERGY= 27.7 kJ/mol ( -458.2256506 Hartree)
Energy+ZPE= 18.7 kJ/mol ZPE= 0.1130821
CONNECTIONS:
o TS22 ( 27.9) o EQ0
o TS51 ( 28.6) o EQ1
o TS107 ( 29.1) o EQ17
o TS138 ( 30.2) o EQ36
[ EQ36 ] C1 ENERGY= 28.0 kJ/mol ( -458.2255298 Hartree)
Energy+ZPE= 18.7 kJ/mol ZPE= 0.1129604
CONNECTIONS:
o TS52 ( 34.2) o EQ1
o TS85 ( 37.2) o EQ9
o TS100 ( 28.7) o EQ14
o TS131 ( 28.4) o EQ31
o TS138 ( 30.2) o EQ35
o TS139 ( 30.1) o EQ37
o TS140 ( 36.1) o EQ44
[ EQ37 ] C1 ENERGY= 29.1 kJ/mol ( -458.2251046 Hartree)
Energy+ZPE= 19.8 kJ/mol ZPE= 0.1129544
CONNECTIONS:
o TS23 ( 30.4) o EQ0
o TS53 ( 30.7) o EQ1
o TS121 ( 30.1) o EQ26
o TS122 ( 29.7) o EQ27
o TS139 ( 30.1) o EQ36
[ EQ38 ] C1 ENERGY= 29.6 kJ/mol ( -458.2249202 Hartree)
Energy+ZPE= 18.1 kJ/mol ZPE= 0.1121312
CONNECTIONS:
o TS24 ( 29.8) o EQ0
o TS132 ( 30.2) o EQ32
[ EQ39 ] Cs ENERGY= 30.5 kJ/mol ( -458.2245620 Hartree)
Energy+ZPE= 21.1 kJ/mol ZPE= 0.1128976
CONNECTIONS:
o TS91 ( 33.1) o EQ10
o TS115 ( 34.3) o EQ21
o TS141 ( 33.9) o EQ44
[ EQ40 ] Ci ENERGY= 30.7 kJ/mol ( -458.2244879 Hartree)
Energy+ZPE= 18.8 kJ/mol ZPE= 0.1119443
CONNECTIONS:
o TS104 ( 30.8) o EQ16
[ EQ41 ] C2h ENERGY= 31.4 kJ/mol ( -458.2242437 Hartree)
Energy+ZPE= 20.1 kJ/mol ZPE= 0.1122065
CONNECTIONS:
o TS54 ( 36.2) o EQ1
o TS142 ( 33.7) o EQ46
[ EQ42 ] Cs ENERGY= 32.5 kJ/mol ( -458.2238059 Hartree)
Energy+ZPE= 21.4 kJ/mol ZPE= 0.1122638
CONNECTIONS:
o TS133 ( 33.5) o EQ33
o TS143 ( 36.6) o EQ52
[ EQ43 ] C1 ENERGY= 32.7 kJ/mol ( -458.2237425 Hartree)
Energy+ZPE= 20.6 kJ/mol ZPE= 0.1118831
CONNECTIONS:
o TS25 ( 32.8) o EQ0
o TS26 ( 33.5) o EQ0
o TS27 ( 33.7) o EQ0
o TS134 ( 33.8) o EQ33
[ EQ44 ] Cs ENERGY= 32.8 kJ/mol ( -458.2237078 Hartree)
Energy+ZPE= 22.1 kJ/mol ZPE= 0.1124225
CONNECTIONS:
o TS97 ( 33.9) o EQ13
o TS124 ( 36.4) o EQ28
o TS140 ( 36.1) o EQ36
o TS141 ( 33.9) o EQ39
o TS144 ( 39.0) o EQ57
[ EQ45 ] C1 ENERGY= 32.9 kJ/mol ( -458.2236538 Hartree)
Energy+ZPE= 21.3 kJ/mol ZPE= 0.1120797
CONNECTIONS:
o TS128 ( 33.6) o EQ29
o TS135 ( 36.7) o EQ33
[ EQ46 ] Cs ENERGY= 33.1 kJ/mol ( -458.2235885 Hartree)
Energy+ZPE= 20.0 kJ/mol ZPE= 0.1115043
CONNECTIONS:
o TS28 ( 35.0) o EQ0
o TS129 ( 33.9) o EQ29
o TS142 ( 33.7) o EQ41
o TS145 ( 33.7) o EQ47
o TS146 ( 34.7) o EQ48
[ EQ47 ] C1 ENERGY= 33.2 kJ/mol ( -458.2235572 Hartree)
Energy+ZPE= 20.5 kJ/mol ZPE= 0.1116466
CONNECTIONS:
o TS130 ( 34.0) o EQ29
o TS136 ( 33.5) o EQ33
o TS145 ( 33.7) o EQ46
[ EQ48 ] Ci ENERGY= 34.2 kJ/mol ( -458.2231751 Hartree)
Energy+ZPE= 19.6 kJ/mol ZPE= 0.1109434
CONNECTIONS:
o TS146 ( 34.7) o EQ46
[ EQ49 ] Cs ENERGY= 34.9 kJ/mol ( -458.2229049 Hartree)
Energy+ZPE= 23.2 kJ/mol ZPE= 0.1120421
CONNECTIONS:
o TS147 ( 39.0) o EQ57
[ EQ50 ] C1 ENERGY= 35.3 kJ/mol ( -458.2227642 Hartree)
Energy+ZPE= 22.9 kJ/mol ZPE= 0.1117734
CONNECTIONS:
[ EQ51 ] C1 ENERGY= 35.4 kJ/mol ( -458.2227076 Hartree)
Energy+ZPE= 22.3 kJ/mol ZPE= 0.1115115
CONNECTIONS:
o TS86 ( 35.8) o EQ9
o TS110 ( 35.7) o EQ18
o TS116 ( 35.6) o EQ21
[ EQ52 ] Cs ENERGY= 35.6 kJ/mol ( -458.2226352 Hartree)
Energy+ZPE= 22.7 kJ/mol ZPE= 0.1115775
CONNECTIONS:
o TS125 ( 37.2) o EQ28
o TS137 ( 36.6) o EQ33
o TS143 ( 36.6) o EQ42
[ EQ53 ] Cs ENERGY= 36.0 kJ/mol ( -458.2224754 Hartree)
Energy+ZPE= 23.3 kJ/mol ZPE= 0.1116746
CONNECTIONS:
o TS55 ( 36.9) o EQ1
o TS92 ( 36.2) o EQ10
o TS93 ( 36.7) o EQ10
[ EQ54 ] C1 ENERGY= 36.4 kJ/mol ( -458.2223296 Hartree)
Energy+ZPE= 21.4 kJ/mol ZPE= 0.1107776
CONNECTIONS:
o TS77 ( 36.5) o EQ4
o TS81 ( 36.7) o EQ7
o TS150 ( 36.9) o xx
[ EQ55 ] Cs ENERGY= 36.7 kJ/mol ( -458.2222292 Hartree)
Energy+ZPE= 21.8 kJ/mol ZPE= 0.1108242
CONNECTIONS:
o TS105 ( 36.7) o EQ16
[ EQ56 ] C1 ENERGY= 36.9 kJ/mol ( -458.2221367 Hartree)
Energy+ZPE= 22.6 kJ/mol ZPE= 0.1110529
CONNECTIONS:
[ EQ57 ] C2h ENERGY= 38.0 kJ/mol ( -458.2217276 Hartree)
Energy+ZPE= 24.6 kJ/mol ZPE= 0.1114076
CONNECTIONS:
o TS144 ( 39.0) o EQ44
o TS147 ( 39.0) o EQ49
[ EQ58 ] Cs ENERGY= 39.1 kJ/mol ( -458.2212864 Hartree)
Energy+ZPE= 24.7 kJ/mol ZPE= 0.1109896
CONNECTIONS:
o TS151 ( 39.2) o xx
[ TS0 ] Animation C1 ENERGY= 19.1 kJ/mol
Energy+ZPE= 11.0 kJ/mol ZPE= 0.1134149
CONNECTIONS:
o EQ0 o EQ0
[ TS1 ] Animation C1 ENERGY= 34.2 kJ/mol
Energy+ZPE= 19.8 kJ/mol ZPE= 0.1110077
CONNECTIONS:
o EQ0 o EQ0
[ TS2 ] Animation C1 ENERGY= 23.1 kJ/mol
Energy+ZPE= 16.0 kJ/mol ZPE= 0.1137740
CONNECTIONS:
o EQ0 o EQ2
[ TS3 ] Animation C1 ENERGY= 23.2 kJ/mol
Energy+ZPE= 15.6 kJ/mol ZPE= 0.1136168
CONNECTIONS:
o EQ0 o EQ2
[ TS4 ] Animation C1 ENERGY= 21.7 kJ/mol
Energy+ZPE= 13.7 kJ/mol ZPE= 0.1134300
CONNECTIONS:
o EQ0 o EQ4
[ TS5 ] Animation C1 ENERGY= 23.5 kJ/mol
Energy+ZPE= 15.3 kJ/mol ZPE= 0.1133620
CONNECTIONS:
o EQ0 o EQ6
[ TS6 ] Animation C1 ENERGY= 23.1 kJ/mol
Energy+ZPE= 14.3 kJ/mol ZPE= 0.1131360
CONNECTIONS:
o EQ0 o EQ7
[ TS7 ] Animation C1 ENERGY= 24.8 kJ/mol
Energy+ZPE= 16.2 kJ/mol ZPE= 0.1132342
CONNECTIONS:
o EQ0 o EQ11
[ TS8 ] Animation C1 ENERGY= 24.9 kJ/mol
Energy+ZPE= 15.4 kJ/mol ZPE= 0.1128728
CONNECTIONS:
o EQ0 o EQ11
[ TS9 ] Animation C1 ENERGY= 27.2 kJ/mol
Energy+ZPE= 18.7 kJ/mol ZPE= 0.1132484
CONNECTIONS:
o EQ0 o EQ13
[ TS10 ] Animation C1 ENERGY= 28.5 kJ/mol
Energy+ZPE= 18.9 kJ/mol ZPE= 0.1128552
CONNECTIONS:
o EQ0 o EQ13
[ TS11 ] Animation C1 ENERGY= 33.8 kJ/mol
Energy+ZPE= 22.4 kJ/mol ZPE= 0.1121357
CONNECTIONS:
o EQ0 o EQ13
[ TS12 ] Animation C1 ENERGY= 28.9 kJ/mol
Energy+ZPE= 19.3 kJ/mol ZPE= 0.1128356
CONNECTIONS:
o EQ0 o EQ15
[ TS13 ] Animation C1 ENERGY= 31.4 kJ/mol
Energy+ZPE= 19.1 kJ/mol ZPE= 0.1118233
CONNECTIONS:
o EQ0 o EQ16
[ TS14 ] Animation C1 ENERGY= 26.6 kJ/mol
Energy+ZPE= 17.7 kJ/mol ZPE= 0.1130905
CONNECTIONS:
o EQ0 o EQ17
[ TS15 ] Animation C1 ENERGY= 27.6 kJ/mol
Energy+ZPE= 19.1 kJ/mol ZPE= 0.1132673
CONNECTIONS:
o EQ0 o EQ17
[ TS16 ] Animation C1 ENERGY= 25.8 kJ/mol
Energy+ZPE= 15.8 kJ/mol ZPE= 0.1126659
CONNECTIONS:
o EQ0 o EQ19
[ TS17 ] Animation C1 ENERGY= 27.5 kJ/mol
Energy+ZPE= 16.7 kJ/mol ZPE= 0.1123673
CONNECTIONS:
o EQ0 o EQ23
[ TS18 ] Animation C1 ENERGY= 28.4 kJ/mol
Energy+ZPE= 16.6 kJ/mol ZPE= 0.1120124
CONNECTIONS:
o EQ0 o EQ23
[ TS19 ] Animation C1 ENERGY= 27.9 kJ/mol
Energy+ZPE= 17.7 kJ/mol ZPE= 0.1126042
CONNECTIONS:
o EQ0 o EQ29
[ TS20 ] Animation C1 ENERGY= 28.1 kJ/mol
Energy+ZPE= 17.5 kJ/mol ZPE= 0.1124478
CONNECTIONS:
o EQ0 o EQ31
[ TS21 ] Animation C1 ENERGY= 33.8 kJ/mol
Energy+ZPE= 20.4 kJ/mol ZPE= 0.1113974
CONNECTIONS:
o EQ0 o EQ32
[ TS22 ] Animation C1 ENERGY= 27.9 kJ/mol
Energy+ZPE= 18.7 kJ/mol ZPE= 0.1130078
CONNECTIONS:
o EQ0 o EQ35
[ TS23 ] Animation C1 ENERGY= 30.4 kJ/mol
Energy+ZPE= 20.5 kJ/mol ZPE= 0.1127037
CONNECTIONS:
o EQ0 o EQ37
[ TS24 ] Animation C1 ENERGY= 29.8 kJ/mol
Energy+ZPE= 18.2 kJ/mol ZPE= 0.1120686
CONNECTIONS:
o EQ0 o EQ38
[ TS25 ] Animation C1 ENERGY= 32.8 kJ/mol
Energy+ZPE= 20.4 kJ/mol ZPE= 0.1117596
CONNECTIONS:
o EQ0 o EQ43
[ TS26 ] Animation C1 ENERGY= 33.5 kJ/mol
Energy+ZPE= 20.3 kJ/mol ZPE= 0.1114482
CONNECTIONS:
o EQ0 o EQ43
[ TS27 ] Animation C1 ENERGY= 33.7 kJ/mol
Energy+ZPE= 21.1 kJ/mol ZPE= 0.1116973
CONNECTIONS:
o EQ0 o EQ43
[ TS28 ] Animation C1 ENERGY= 35.0 kJ/mol
Energy+ZPE= 22.3 kJ/mol ZPE= 0.1116452
CONNECTIONS:
o EQ0 o EQ46
[ TS29 ] Animation C1 ENERGY= 35.0 kJ/mol
Energy+ZPE= 24.0 kJ/mol ZPE= 0.1122968
CONNECTIONS:
o EQ0 o xx
[ TS30 ] Animation C1 ENERGY= 20.3 kJ/mol
Energy+ZPE= 10.9 kJ/mol ZPE= 0.1129123
CONNECTIONS:
o EQ1 o EQ1
[ TS31 ] Animation C1 ENERGY= 21.0 kJ/mol
Energy+ZPE= 11.1 kJ/mol ZPE= 0.1127339
CONNECTIONS:
o EQ1 o EQ1
[ TS32 ] Animation C1 ENERGY= 21.3 kJ/mol
Energy+ZPE= 11.4 kJ/mol ZPE= 0.1127199
CONNECTIONS:
o EQ1 o EQ1
[ TS33 ] Animation C1 ENERGY= 29.4 kJ/mol
Energy+ZPE= 18.9 kJ/mol ZPE= 0.1124788
CONNECTIONS:
o EQ1 o EQ1
[ TS34 ] Animation C1 ENERGY= 18.6 kJ/mol
Energy+ZPE= 9.0 kJ/mol ZPE= 0.1128447
CONNECTIONS:
o EQ1 o EQ3
[ TS35 ] Animation C1 ENERGY= 20.1 kJ/mol
Energy+ZPE= 10.3 kJ/mol ZPE= 0.1127568
CONNECTIONS:
o EQ1 o EQ3
[ TS36 ] Animation C1 ENERGY= 20.2 kJ/mol
Energy+ZPE= 10.4 kJ/mol ZPE= 0.1127599
CONNECTIONS:
o EQ1 o EQ3
[ TS37 ] Animation C1 ENERGY= 20.8 kJ/mol
Energy+ZPE= 10.6 kJ/mol ZPE= 0.1126035
CONNECTIONS:
o EQ1 o EQ3
[ TS38 ] Animation C1 ENERGY= 28.2 kJ/mol
Energy+ZPE= 17.4 kJ/mol ZPE= 0.1123720
CONNECTIONS:
o EQ1 o EQ3
[ TS39 ] Animation C1 ENERGY= 22.2 kJ/mol
Energy+ZPE= 12.9 kJ/mol ZPE= 0.1129675
CONNECTIONS:
o EQ1 o EQ5
[ TS40 ] Animation C1 ENERGY= 26.5 kJ/mol
Energy+ZPE= 17.6 kJ/mol ZPE= 0.1131043
CONNECTIONS:
o EQ1 o EQ10
[ TS41 ] Animation C1 ENERGY= 27.1 kJ/mol
Energy+ZPE= 18.0 kJ/mol ZPE= 0.1130392
CONNECTIONS:
o EQ1 o EQ13
[ TS42 ] Animation C1 ENERGY= 28.6 kJ/mol
Energy+ZPE= 19.0 kJ/mol ZPE= 0.1128301
CONNECTIONS:
o EQ1 o EQ13
[ TS43 ] Animation C1 ENERGY= 25.8 kJ/mol
Energy+ZPE= 15.6 kJ/mol ZPE= 0.1126152
CONNECTIONS:
o EQ1 o EQ16
[ TS44 ] Animation C1 ENERGY= 25.9 kJ/mol
Energy+ZPE= 15.6 kJ/mol ZPE= 0.1125726
CONNECTIONS:
o EQ1 o EQ18
[ TS45 ] Animation C1 ENERGY= 35.0 kJ/mol
Energy+ZPE= 22.5 kJ/mol ZPE= 0.1117362
CONNECTIONS:
o EQ1 o EQ20
[ TS46 ] Animation C1 ENERGY= 25.8 kJ/mol
Energy+ZPE= 17.1 kJ/mol ZPE= 0.1131769
CONNECTIONS:
o EQ1 o EQ22
[ TS47 ] Animation C1 ENERGY= 26.0 kJ/mol
Energy+ZPE= 17.6 kJ/mol ZPE= 0.1132958
CONNECTIONS:
o EQ1 o EQ22
[ TS48 ] Animation C1 ENERGY= 26.7 kJ/mol
Energy+ZPE= 18.1 kJ/mol ZPE= 0.1132352
CONNECTIONS:
o EQ1 o EQ26
[ TS49 ] Animation C1 ENERGY= 27.6 kJ/mol
Energy+ZPE= 18.0 kJ/mol ZPE= 0.1128509
CONNECTIONS:
o EQ1 o EQ28
[ TS50 ] Animation C1 ENERGY= 30.8 kJ/mol
Energy+ZPE= 19.8 kJ/mol ZPE= 0.1123086
CONNECTIONS:
o EQ1 o EQ33
[ TS51 ] Animation C1 ENERGY= 28.6 kJ/mol
Energy+ZPE= 19.2 kJ/mol ZPE= 0.1129137
CONNECTIONS:
o EQ1 o EQ35
[ TS52 ] Animation C1 ENERGY= 34.2 kJ/mol
Energy+ZPE= 22.3 kJ/mol ZPE= 0.1119755
CONNECTIONS:
o EQ1 o EQ36
[ TS53 ] Animation C1 ENERGY= 30.7 kJ/mol
Energy+ZPE= 20.3 kJ/mol ZPE= 0.1125414
CONNECTIONS:
o EQ1 o EQ37
[ TS54 ] Animation C1 ENERGY= 36.2 kJ/mol
Energy+ZPE= 24.1 kJ/mol ZPE= 0.1118993
CONNECTIONS:
o EQ1 o EQ41
[ TS55 ] Animation C1 ENERGY= 36.9 kJ/mol
Energy+ZPE= 23.7 kJ/mol ZPE= 0.1114647
CONNECTIONS:
o EQ1 o EQ53
[ TS56 ] Animation C1 ENERGY= 30.5 kJ/mol
Energy+ZPE= 19.0 kJ/mol ZPE= 0.1121006
CONNECTIONS:
o EQ2 o EQ4
[ TS57 ] Animation C1 ENERGY= 22.8 kJ/mol
Energy+ZPE= 13.9 kJ/mol ZPE= 0.1131210
CONNECTIONS:
o EQ2 o EQ6
[ TS58 ] Animation C1 ENERGY= 22.4 kJ/mol
Energy+ZPE= 14.3 kJ/mol ZPE= 0.1134168
CONNECTIONS:
o EQ2 o EQ7
[ TS59 ] Animation C1 ENERGY= 25.6 kJ/mol
Energy+ZPE= 17.0 kJ/mol ZPE= 0.1132226
CONNECTIONS:
o EQ2 o EQ12
[ TS60 ] Animation C1 ENERGY= 25.8 kJ/mol
Energy+ZPE= 17.3 kJ/mol ZPE= 0.1132659
CONNECTIONS:
o EQ2 o EQ12
[ TS61 ] Animation C1 ENERGY= 26.6 kJ/mol
Energy+ZPE= 16.8 kJ/mol ZPE= 0.1127689
CONNECTIONS:
o EQ2 o EQ23
[ TS62 ] Animation C1 ENERGY= 22.9 kJ/mol
Energy+ZPE= 13.2 kJ/mol ZPE= 0.1127968
CONNECTIONS:
o EQ3 o EQ5
[ TS63 ] Animation C1 ENERGY= 24.1 kJ/mol
Energy+ZPE= 14.5 kJ/mol ZPE= 0.1128263
CONNECTIONS:
o EQ3 o EQ6
[ TS64 ] Animation C1 ENERGY= 22.7 kJ/mol
Energy+ZPE= 10.5 kJ/mol ZPE= 0.1118632
CONNECTIONS:
o EQ3 o EQ8
[ TS65 ] Animation C1 ENERGY= 23.9 kJ/mol
Energy+ZPE= 11.8 kJ/mol ZPE= 0.1118674
CONNECTIONS:
o EQ3 o EQ8
[ TS66 ] Animation C1 ENERGY= 26.6 kJ/mol
Energy+ZPE= 17.0 kJ/mol ZPE= 0.1128256
CONNECTIONS:
o EQ3 o EQ12
[ TS67 ] Animation C1 ENERGY= 32.4 kJ/mol
Energy+ZPE= 18.9 kJ/mol ZPE= 0.1113620
CONNECTIONS:
o EQ3 o EQ16
[ TS68 ] Animation C1 ENERGY= 26.3 kJ/mol
Energy+ZPE= 16.0 kJ/mol ZPE= 0.1125723
CONNECTIONS:
o EQ3 o EQ20
[ TS69 ] Animation C1 ENERGY= 26.4 kJ/mol
Energy+ZPE= 16.5 kJ/mol ZPE= 0.1127186
CONNECTIONS:
o EQ3 o EQ25
[ TS70 ] Animation C1 ENERGY= 24.7 kJ/mol
Energy+ZPE= 15.3 kJ/mol ZPE= 0.1129037
CONNECTIONS:
o EQ4 o EQ5
[ TS71 ] Animation C1 ENERGY= 23.1 kJ/mol
Energy+ZPE= 15.3 kJ/mol ZPE= 0.1135199
CONNECTIONS:
o EQ4 o EQ6
[ TS72 ] Animation C1 ENERGY= 24.0 kJ/mol
Energy+ZPE= 14.9 kJ/mol ZPE= 0.1130308
CONNECTIONS:
o EQ4 o EQ6
[ TS73 ] Animation C1 ENERGY= 25.5 kJ/mol
Energy+ZPE= 16.5 kJ/mol ZPE= 0.1130797
CONNECTIONS:
o EQ4 o EQ9
[ TS74 ] Animation C1 ENERGY= 27.1 kJ/mol
Energy+ZPE= 18.1 kJ/mol ZPE= 0.1130697
CONNECTIONS:
o EQ4 o EQ23
[ TS75 ] Animation C1 ENERGY= 27.4 kJ/mol
Energy+ZPE= 17.0 kJ/mol ZPE= 0.1125253
CONNECTIONS:
o EQ4 o EQ24
[ TS76 ] Animation C1 ENERGY= 29.2 kJ/mol
Energy+ZPE= 17.9 kJ/mol ZPE= 0.1121919
CONNECTIONS:
o EQ4 o EQ32
[ TS77 ] Animation C1 ENERGY= 36.5 kJ/mol
Energy+ZPE= 21.2 kJ/mol ZPE= 0.1106758
CONNECTIONS:
o EQ4 o EQ54
[ TS78 ] Animation C1 ENERGY= 26.4 kJ/mol
Energy+ZPE= 16.6 kJ/mol ZPE= 0.1127701
CONNECTIONS:
o EQ5 o EQ24
[ TS79 ] Animation C1 ENERGY= 24.8 kJ/mol
Energy+ZPE= 13.6 kJ/mol ZPE= 0.1122352
CONNECTIONS:
o EQ6 o EQ8
[ TS80 ] Animation C1 ENERGY= 27.7 kJ/mol
Energy+ZPE= 17.3 kJ/mol ZPE= 0.1125280
CONNECTIONS:
o EQ7 o EQ12
[ TS81 ] Animation C1 ENERGY= 36.7 kJ/mol
Energy+ZPE= 21.7 kJ/mol ZPE= 0.1107873
CONNECTIONS:
o EQ7 o EQ54
[ TS82 ] Animation Cs ENERGY= 38.8 kJ/mol
Energy+ZPE= 25.5 kJ/mol ZPE= 0.1114320
CONNECTIONS:
o EQ9 o EQ9
[ TS83 ] Animation C1 ENERGY= 28.6 kJ/mol
Energy+ZPE= 18.8 kJ/mol ZPE= 0.1127656
CONNECTIONS:
o EQ9 o EQ15
[ TS84 ] Animation C1 ENERGY= 25.9 kJ/mol
Energy+ZPE= 17.3 kJ/mol ZPE= 0.1132136
CONNECTIONS:
o EQ9 o EQ22
[ TS85 ] Animation C1 ENERGY= 37.2 kJ/mol
Energy+ZPE= 23.6 kJ/mol ZPE= 0.1113024
CONNECTIONS:
o EQ9 o EQ36
[ TS86 ] Animation C1 ENERGY= 35.8 kJ/mol
Energy+ZPE= 22.3 kJ/mol ZPE= 0.1113512
CONNECTIONS:
o EQ9 o EQ51
[ TS87 ] Animation C1 ENERGY= 29.4 kJ/mol
Energy+ZPE= 19.2 kJ/mol ZPE= 0.1125966
CONNECTIONS:
o EQ10 o EQ10
[ TS88 ] Animation C1 ENERGY= 34.6 kJ/mol
Energy+ZPE= 22.0 kJ/mol ZPE= 0.1116837
CONNECTIONS:
o EQ10 o EQ10
[ TS89 ] Animation C1 ENERGY= 26.7 kJ/mol
Energy+ZPE= 17.8 kJ/mol ZPE= 0.1131037
CONNECTIONS:
o EQ10 o EQ17
[ TS90 ] Animation C1 ENERGY= 28.1 kJ/mol
Energy+ZPE= 18.3 kJ/mol ZPE= 0.1127622
CONNECTIONS:
o EQ10 o EQ28
[ TS91 ] Animation C1 ENERGY= 33.1 kJ/mol
Energy+ZPE= 22.8 kJ/mol ZPE= 0.1125554
CONNECTIONS:
o EQ10 o EQ39
[ TS92 ] Animation Cs ENERGY= 36.2 kJ/mol
Energy+ZPE= 23.0 kJ/mol ZPE= 0.1114821
CONNECTIONS:
o EQ10 o EQ53
[ TS93 ] Animation C1 ENERGY= 36.7 kJ/mol
Energy+ZPE= 23.3 kJ/mol ZPE= 0.1113954
CONNECTIONS:
o EQ10 o EQ53
[ TS94 ] Animation C1 ENERGY= 25.0 kJ/mol
Energy+ZPE= 17.4 kJ/mol ZPE= 0.1136021
CONNECTIONS:
o EQ11 o EQ11
[ TS95 ] Animation C1 ENERGY= 26.8 kJ/mol
Energy+ZPE= 17.5 kJ/mol ZPE= 0.1129452
CONNECTIONS:
o EQ13 o EQ15
[ TS96 ] Animation C1 ENERGY= 27.8 kJ/mol
Energy+ZPE= 18.5 kJ/mol ZPE= 0.1129515
CONNECTIONS:
o EQ13 o EQ27
[ TS97 ] Animation C1 ENERGY= 33.9 kJ/mol
Energy+ZPE= 22.9 kJ/mol ZPE= 0.1122865
CONNECTIONS:
o EQ13 o EQ44
[ TS98 ] Animation C1 ENERGY= 25.8 kJ/mol
Energy+ZPE= 17.9 kJ/mol ZPE= 0.1134791
CONNECTIONS:
o EQ14 o EQ22
[ TS99 ] Animation C1 ENERGY= 27.5 kJ/mol
Energy+ZPE= 18.4 kJ/mol ZPE= 0.1130159
CONNECTIONS:
o EQ14 o EQ27
[ TS100 ] Animation C1 ENERGY= 28.7 kJ/mol
Energy+ZPE= 19.0 kJ/mol ZPE= 0.1127836
CONNECTIONS:
o EQ14 o EQ36
[ TS101 ] Animation Cs ENERGY= 31.7 kJ/mol
Energy+ZPE= 18.3 kJ/mol ZPE= 0.1114060
CONNECTIONS:
o EQ16 o EQ16
[ TS102 ] Animation C1 ENERGY= 26.8 kJ/mol
Energy+ZPE= 16.0 kJ/mol ZPE= 0.1123889
CONNECTIONS:
o EQ16 o EQ18
[ TS103 ] Animation C1 ENERGY= 27.4 kJ/mol
Energy+ZPE= 16.3 kJ/mol ZPE= 0.1122620
CONNECTIONS:
o EQ16 o EQ24
[ TS104 ] Animation C1 ENERGY= 30.8 kJ/mol
Energy+ZPE= 18.7 kJ/mol ZPE= 0.1118733
CONNECTIONS:
o EQ16 o EQ40
[ TS105 ] Animation C1 ENERGY= 36.7 kJ/mol
Energy+ZPE= 21.8 kJ/mol ZPE= 0.1108165
CONNECTIONS:
o EQ16 o EQ55
[ TS106 ] Animation C1 ENERGY= 27.9 kJ/mol
Energy+ZPE= 18.4 kJ/mol ZPE= 0.1128558
CONNECTIONS:
o EQ17 o EQ21
[ TS107 ] Animation C1 ENERGY= 29.1 kJ/mol
Energy+ZPE= 19.4 kJ/mol ZPE= 0.1127867
CONNECTIONS:
o EQ17 o EQ35
[ TS108 ] Animation C1 ENERGY= 31.8 kJ/mol
Energy+ZPE= 18.1 kJ/mol ZPE= 0.1112591
CONNECTIONS:
o EQ18 o EQ18
[ TS109 ] Animation C1 ENERGY= 27.5 kJ/mol
Energy+ZPE= 16.2 kJ/mol ZPE= 0.1121834
CONNECTIONS:
o EQ18 o EQ25
[ TS110 ] Animation C1 ENERGY= 35.7 kJ/mol
Energy+ZPE= 22.4 kJ/mol ZPE= 0.1114154
CONNECTIONS:
o EQ18 o EQ51
[ TS111 ] Animation C1 ENERGY= 28.4 kJ/mol
Energy+ZPE= 17.1 kJ/mol ZPE= 0.1121903
CONNECTIONS:
o EQ19 o EQ34
[ TS112 ] Animation Cs ENERGY= 30.8 kJ/mol
Energy+ZPE= 19.6 kJ/mol ZPE= 0.1122425
CONNECTIONS:
o EQ21 o EQ21
[ TS113 ] Animation C1 ENERGY= 27.5 kJ/mol
Energy+ZPE= 18.2 kJ/mol ZPE= 0.1129571
CONNECTIONS:
o EQ21 o EQ26
[ TS114 ] Animation C1 ENERGY= 27.8 kJ/mol
Energy+ZPE= 18.4 kJ/mol ZPE= 0.1128961
CONNECTIONS:
o EQ21 o EQ31
[ TS115 ] Animation C1 ENERGY= 34.3 kJ/mol
Energy+ZPE= 23.0 kJ/mol ZPE= 0.1121717
CONNECTIONS:
o EQ21 o EQ39
[ TS116 ] Animation C1 ENERGY= 35.6 kJ/mol
Energy+ZPE= 22.3 kJ/mol ZPE= 0.1114346
CONNECTIONS:
o EQ21 o EQ51
[ TS117 ] Animation C1 ENERGY= 28.5 kJ/mol
Energy+ZPE= 16.5 kJ/mol ZPE= 0.1119398
CONNECTIONS:
o EQ23 o EQ29
[ TS118 ] Animation C1 ENERGY= 28.8 kJ/mol
Energy+ZPE= 17.5 kJ/mol ZPE= 0.1121980
CONNECTIONS:
o EQ23 o EQ29
[ TS119 ] Animation C1 ENERGY= 27.1 kJ/mol
Energy+ZPE= 16.7 kJ/mol ZPE= 0.1125235
CONNECTIONS:
o EQ24 o EQ25
[ TS120 ] Animation C1 ENERGY= 27.5 kJ/mol
Energy+ZPE= 17.1 kJ/mol ZPE= 0.1125207
CONNECTIONS:
o EQ24 o EQ25
[ TS121 ] Animation C1 ENERGY= 30.1 kJ/mol
Energy+ZPE= 20.1 kJ/mol ZPE= 0.1126970
CONNECTIONS:
o EQ26 o EQ37
[ TS122 ] Animation C1 ENERGY= 29.7 kJ/mol
Energy+ZPE= 20.0 kJ/mol ZPE= 0.1127898
CONNECTIONS:
o EQ27 o EQ37
[ TS123 ] Animation C1 ENERGY= 35.9 kJ/mol
Energy+ZPE= 22.5 kJ/mol ZPE= 0.1113721
CONNECTIONS:
o EQ28 o EQ28
[ TS124 ] Animation C1 ENERGY= 36.4 kJ/mol
Energy+ZPE= 24.2 kJ/mol ZPE= 0.1118415
CONNECTIONS:
o EQ28 o EQ44
[ TS125 ] Animation C1 ENERGY= 37.2 kJ/mol
Energy+ZPE= 22.9 kJ/mol ZPE= 0.1110415
CONNECTIONS:
o EQ28 o EQ52
[ TS126 ] Animation Cs ENERGY= 28.0 kJ/mol
Energy+ZPE= 16.9 kJ/mol ZPE= 0.1122608
CONNECTIONS:
o EQ29 o EQ29
[ TS127 ] Animation C1 ENERGY= 27.6 kJ/mol
Energy+ZPE= 17.2 kJ/mol ZPE= 0.1125340
CONNECTIONS:
o EQ29 o EQ33
[ TS128 ] Animation C1 ENERGY= 33.6 kJ/mol
Energy+ZPE= 22.1 kJ/mol ZPE= 0.1121088
CONNECTIONS:
o EQ29 o EQ45
[ TS129 ] Animation C1 ENERGY= 33.9 kJ/mol
Energy+ZPE= 20.2 kJ/mol ZPE= 0.1112675
CONNECTIONS:
o EQ29 o EQ46
[ TS130 ] Animation C1 ENERGY= 34.0 kJ/mol
Energy+ZPE= 21.0 kJ/mol ZPE= 0.1115230
CONNECTIONS:
o EQ29 o EQ47
[ TS131 ] Animation C1 ENERGY= 28.4 kJ/mol
Energy+ZPE= 18.9 kJ/mol ZPE= 0.1128890
CONNECTIONS:
o EQ31 o EQ36
[ TS132 ] Animation C1 ENERGY= 30.2 kJ/mol
Energy+ZPE= 18.0 kJ/mol ZPE= 0.1118587
CONNECTIONS:
o EQ32 o EQ38
[ TS133 ] Animation C1 ENERGY= 33.5 kJ/mol
Energy+ZPE= 22.0 kJ/mol ZPE= 0.1121263
CONNECTIONS:
o EQ33 o EQ42
[ TS134 ] Animation C1 ENERGY= 33.8 kJ/mol
Energy+ZPE= 20.4 kJ/mol ZPE= 0.1114010
CONNECTIONS:
o EQ33 o EQ43
[ TS135 ] Animation C1 ENERGY= 36.7 kJ/mol
Energy+ZPE= 23.0 kJ/mol ZPE= 0.1112651
CONNECTIONS:
o EQ33 o EQ45
[ TS136 ] Animation C1 ENERGY= 33.5 kJ/mol
Energy+ZPE= 20.6 kJ/mol ZPE= 0.1115890
CONNECTIONS:
o EQ33 o EQ47
[ TS137 ] Animation C1 ENERGY= 36.6 kJ/mol
Energy+ZPE= 23.3 kJ/mol ZPE= 0.1114351
CONNECTIONS:
o EQ33 o EQ52
[ TS138 ] Animation C1 ENERGY= 30.2 kJ/mol
Energy+ZPE= 19.7 kJ/mol ZPE= 0.1125116
CONNECTIONS:
o EQ35 o EQ36
[ TS139 ] Animation C1 ENERGY= 30.1 kJ/mol
Energy+ZPE= 19.7 kJ/mol ZPE= 0.1125415
CONNECTIONS:
o EQ36 o EQ37
[ TS140 ] Animation C1 ENERGY= 36.1 kJ/mol
Energy+ZPE= 23.8 kJ/mol ZPE= 0.1118226
CONNECTIONS:
o EQ36 o EQ44
[ TS141 ] Animation C1 ENERGY= 33.9 kJ/mol
Energy+ZPE= 22.6 kJ/mol ZPE= 0.1121850
CONNECTIONS:
o EQ39 o EQ44
[ TS142 ] Animation C1 ENERGY= 33.7 kJ/mol
Energy+ZPE= 20.2 kJ/mol ZPE= 0.1113617
CONNECTIONS:
o EQ41 o EQ46
[ TS143 ] Animation C1 ENERGY= 36.6 kJ/mol
Energy+ZPE= 23.1 kJ/mol ZPE= 0.1113572
CONNECTIONS:
o EQ42 o EQ52
[ TS144 ] Animation C1 ENERGY= 39.0 kJ/mol
Energy+ZPE= 25.0 kJ/mol ZPE= 0.1111653
CONNECTIONS:
o EQ44 o EQ57
[ TS145 ] Animation C1 ENERGY= 33.7 kJ/mol
Energy+ZPE= 20.5 kJ/mol ZPE= 0.1114615
CONNECTIONS:
o EQ46 o EQ47
[ TS146 ] Animation C1 ENERGY= 34.7 kJ/mol
Energy+ZPE= 19.8 kJ/mol ZPE= 0.1108341
CONNECTIONS:
o EQ46 o EQ48
[ TS147 ] Animation C1 ENERGY= 39.0 kJ/mol
Energy+ZPE= 25.1 kJ/mol ZPE= 0.1111803
CONNECTIONS:
o EQ49 o EQ57
[ TS148 ] Animation C1 ENERGY= 29.6 kJ/mol
Energy+ZPE= 18.7 kJ/mol ZPE= 0.1123247
CONNECTIONS:
o xx o EQ3
[ TS149 ] Animation C1 ENERGY= 34.2 kJ/mol
Energy+ZPE= 20.6 kJ/mol ZPE= 0.1113253
CONNECTIONS:
o xx o EQ25
[ TS150 ] Animation C1 ENERGY= 36.9 kJ/mol
Energy+ZPE= 22.1 kJ/mol ZPE= 0.1108656
CONNECTIONS:
o xx o EQ54
[ TS151 ] Animation C1 ENERGY= 39.2 kJ/mol
Energy+ZPE= 24.6 kJ/mol ZPE= 0.1109407
CONNECTIONS:
o xx o EQ58
xx: This is an exceptional case, which could not be assigned during the GRRM
procedures. It is possibly due to a very shallow well of numerical thresholds,
a minimum with negative Hessians, or artifacts associated with the computation.
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